2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C13H12N4O2S2 — CID 79270354

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESCc1ncc(Cn2c(SCC(=O)O)nc3cnccc32)s1
InChIInChI=1S/C13H12N4O2S2/c1-8-15-4-9(21-8)6-17-11-2-3-14-5-10(11)16-13(17)20-7-12(18)19/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyYTWLRDVZZDKYHB-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79270354) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID79270354
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESCc1ncc(Cn2c(SCC(=O)O)nc3cnccc32)s1
InChIInChI=1S/C13H12N4O2S2/c1-8-15-4-9(21-8)6-17-11-2-3-14-5-10(11)16-13(17)20-7-12(18)19/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyYTWLRDVZZDKYHB-UHFFFAOYSA-N
XLogP2.42
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid with MolForge

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Related Compounds

2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 3000086
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
N,N-dimethyl-4-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 9900245
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
N,N-dimethyl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449635
4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 73774844
4-N-butyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334964
5-(pyridin-2-ylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335005
2-(Benzothiazol-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 3609966
N,3-dimethyl-11-(1,3-thiazol-2-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 73354871
2-(6-Thiophen-2-ylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
CID 162671235
4-(1-Methylimidazol-2-yl)sulfanylthieno[3,2-d]pyrimidine
CID 17398022

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 79270354) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is Cc1ncc(Cn2c(SCC(=O)O)nc3cnccc32)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is YTWLRDVZZDKYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-15-4-9(21-8)6-17-11-2-3-14-5-10(11)16-13(17)20-7-12(18)19/h2-5H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 320.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79270354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).